4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine

C8H6N6 — CID 173289622

IUPAC4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine
SMILESc1nc(-c2cn[nH]c2)n2nccc2n1
InChIInChI=1S/C8H6N6/c1-2-13-14-7(1)9-5-10-8(14)6-3-11-12-4-6/h1-5H,(H,11,12)
InChIKeyODMWGXQZOJPIHX-UHFFFAOYSA-N
MW186.18 g/mol
LogP0.51
Rot. Bonds1

About 4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine

4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine (PubChem CID 173289622) has the molecular formula C8H6N6 and a molecular weight of 186.18 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine
PubChem CID173289622
Molecular FormulaC8H6N6
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine
SMILESc1nc(-c2cn[nH]c2)n2nccc2n1
InChIInChI=1S/C8H6N6/c1-2-13-14-7(1)9-5-10-8(14)6-3-11-12-4-6/h1-5H,(H,11,12)
InChIKeyODMWGXQZOJPIHX-UHFFFAOYSA-N
XLogP0.51
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine (CID 173289622) is 4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine is c1nc(-c2cn[nH]c2)n2nccc2n1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is ODMWGXQZOJPIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6/c1-2-13-14-7(1)9-5-10-8(14)6-3-11-12-4-6/h1-5H,(H,11,12).
What are the key properties of 4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine?
4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 186.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)pyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 173289622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).